SCHEMBL4539129

SCHEMBL4539129

Cc1ccccc1S(=O)(=O)N1CCC(CC(=O)NC23CC4CC(CC(C4)C2)C3)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.52
EPHX1 P07099 5/20 0.50
CNR2 P34972 2/20 0.47
CNR1 P21554 1/20 0.47
KMT2A Q03164 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
PSMB5 P28074 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD11B1 P28845 1/20 0.43
CACNA1H O95180 1/20 0.42
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
G6PD P11413 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4537439 0.95 EPHX2 (0.48) EPHX2EPHX1CNR2CNR1KMT2A
SCHEMBL4539947 0.94 EPHX2 (0.57) EPHX2EPHX1CNR2CNR1KMT2A
SCHEMBL8070996 0.88 HDAC3 (0.52) EPHX2EPHX1KMT2ANPC1RAB9A
SCHEMBL4541178 0.88 EPHX1 (0.50) EPHX2EPHX1KMT2ANPC1RAB9A
SCHEMBL4535493 0.88 HDAC3 (0.52) EPHX2EPHX1KMT2ANPC1RAB9A
SCHEMBL4532833 0.87 KMT2A (0.53) EPHX2EPHX1CNR2KMT2AMEN1
SCHEMBL8065956 0.86 HSD11B1 (0.59) EPHX2EPHX1CNR2CNR1HSD11B1
SCHEMBL4533119 0.86 HSD11B1 (0.59) EPHX2EPHX1CNR2CNR1HSD11B1
SCHEMBL4539563 0.86 EPHX2 (0.56) EPHX2EPHX1
SCHEMBL4535598 0.85 KMT2A (0.46) EPHX2EPHX1KMT2ANPC1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009070497-A1 SEH AND 11 β-HSD1 INHIBITORS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2009-06-04 WO claimed
WO-2009070497-A1 SEH AND 11 β-HSD1 INHIBITORS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2009-06-04 WO disclosed